[2-(2-chloroethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-propylthiophene-2-carboxylate

Systemtic Name: [2-(2-chloroethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-propylthiophene-2-carboxylate Openeye Name: [2-(2-chloroethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 3-propylthiophene-2-carboxylate CAS Name: 3-propyl-2-thiophenecarboxylic acid [2-(2-chloroethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [2-(2-chloroethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 3-propylthiophene-2-carboxylate Traditional Name: 3-propylthiophene-2-carboxylic acid [2-(2-chloroethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C21H29ClN4O3S2 MolecularWeight: 485.06296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC=C1)C(=O)OC2CNC([N+]2(C3=NN=C(S3)C4CCCCC4)[O-])CCCl

Isomeric SMILES

CCCC1=C(SC=C1)C(=O)OC2CNC([N+]2(C3=NN=C(S3)C4CCCCC4)[O-])CCCl

InChI

InChI=1S/C21H29ClN4O3S2/c1-2-6-14-10-12-30-18(14)20(27)29-17-13-23-16(9-11-22)26(17,28)21-25-24-19(31-21)15-7-4-3-5-8-15/h10,12,15-17,23H,2-9,11,13H2,1H3